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Autonomous agents driven by Large Language Models (LLMs) offer enormous potential for automation. Early proof of this technology can be found in various demonstrations of agents solving complex tasks, interacting with external systems to…

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is…

Artificial Intelligence · Computer Science 2025-09-30 Shuxiang Cao , Zijian Zhang , Mohammed Alghadeer , Simone D Fasciati , Michele Piscitelli , Mustafa Bakr , Peter Leek , Alán Aspuru-Guzik

Agentic systems, in which diverse agents cooperate to tackle challenging problems, are exploding in popularity in the AI community. However, existing agentic frameworks take a relatively narrow view of agents, apply a centralized model, and…

Multiagent Systems · Computer Science 2026-01-30 Alok Kamatar , J. Gregory Pauloski , Yadu Babuji , Ryan Chard , Mansi Sakarvadia , Daniel Babnigg , Kyle Chard , Ian Foster

Scaling test-time computation improves large language model performance without additional training. Recent work demonstrates that techniques such as repeated sampling, self-verification, and self-reflection can significantly enhance task…

Artificial Intelligence · Computer Science 2025-12-15 Dongwon Jung , Peng Shi , Yi Zhang

Autonomous agents empowered by Large Language Models (LLMs) have undergone significant improvements, enabling them to generalize across a broad spectrum of tasks. However, in real-world scenarios, cooperation among individuals is often…

A multi-agent AI system (MAS) is composed of multiple autonomous agents that interact, exchange information, and make decisions based on internal generative models. Recent advances in large language models and tool-using agents have made…

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials…

Artificial Intelligence · Computer Science 2026-02-10 Isabella A. Stewart , Tarjei Paule Hage , Yu-Chuan Hsu , Markus J. Buehler

This paper introduces Agent-Based Auto Research, a structured multi-agent framework designed to automate, coordinate, and optimize the full lifecycle of scientific research. Leveraging the capabilities of large language models (LLMs) and…

The traditional ML development methodology does not enable a large number of contributors, each with distinct objectives, to work collectively on the creation and extension of a shared intelligent system. Enabling such a collaborative…

Machine Learning · Computer Science 2023-01-02 Andrea Gesmundo

As AI agents evolve, the community is rapidly shifting from single Large Language Models (LLMs) to Multi-Agent Systems (MAS) to overcome cognitive bottlenecks in automated research. However, the optimal multi-agent coordination framework…

Multiagent Systems · Computer Science 2026-05-12 Yang Shen , Zhenyi Yi , Ziyi Zhao , Lijun Sun , Dongyang Li , Chin-Teng Lin , Yuhui Shi

Large language model (LLM) agents have shown increasing promise for collaborative task completion. However, existing multi-agent frameworks often rely on static workflows, fixed roles, and limited inter-agent communication, reducing their…

Multiagent Systems · Computer Science 2026-02-13 Chengxuan Xia , Qianye Wu , Sixuan Tian , Yilun Hao

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo

Artificial intelligence is reshaping scientific exploration, but most methods automate procedural tasks without engaging in scientific reasoning, limiting autonomy in discovery. We introduce Materials Agents for Simulation and Theory in…

The emergence of multi-agent systems powered by large language models (LLMs) has unlocked new frontiers in complex task-solving, enabling diverse agents to integrate unique expertise, collaborate flexibly, and address challenges…

Artificial Intelligence · Computer Science 2025-11-05 Jingbo Wang , Sendong Zhao , Haochun Wang , Yuzheng Fan , Lizhe Zhang , Yan Liu , Ting Liu

Since the advent of Large Language Models (LLMs), various research based on such models have maintained significant academic attention and impact, especially in AI and robotics. In this paper, we propose a multi-agent framework with LLMs to…

Robotics · Computer Science 2025-05-12 Junhong Chen , Ziqi Yang , Haoyuan G Xu , Dandan Zhang , George Mylonas

Manufacturing industries are facing increasing product variability due to the growing demand for personalized products. Under these conditions, ensuring safety becomes challenging as frequent reconfigurations can lead to unintended…

Multiagent Systems · Computer Science 2026-04-21 Jonghan Lim , Mostafa Tavakkoli Anbarani , Rômulo Meira-Góes , Ilya Kovalenko

Multi-agent Large Language Model (LLM) systems have been leading the way in applied LLM research across a number of fields. One notable area is software development, where researchers have advanced the automation of code implementation,…

Software Engineering · Computer Science 2025-11-25 Vali Tawosi , Keshav Ramani , Salwa Alamir , Xiaomo Liu

Multi-Agent Reinforcement Learning (MARL) algorithms are widely adopted in tackling complex tasks that require collaboration and competition among agents in dynamic Multi-Agent Systems (MAS). However, learning such tasks from scratch is…

Artificial Intelligence · Computer Science 2024-02-14 Ayesha Siddika Nipu , Siming Liu , Anthony Harris
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